6-(3-chloroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide

C20H22ClN3O — CID 11233590

IUPAC6-(3-chloroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide
SMILESO=C(NCC1CCC1)c1cnc(Nc2cccc(Cl)c2)cc1C1CC1
InChIInChI=1S/C20H22ClN3O/c21-15-5-2-6-16(9-15)24-19-10-17(14-7-8-14)18(12-22-19)20(25)23-11-13-3-1-4-13/h2,5-6,9-10,12-14H,1,3-4,7-8,11H2,(H,22,24)(H,23,25)
InChIKeyWCVXETSDXOLDBB-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.89
Rot. Bonds6

About 6-(3-chloroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide

6-(3-chloroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide (PubChem CID 11233590) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 6-(3-chloroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-chloroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide
PubChem CID11233590
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name6-(3-chloroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide
SMILESO=C(NCC1CCC1)c1cnc(Nc2cccc(Cl)c2)cc1C1CC1
InChIInChI=1S/C20H22ClN3O/c21-15-5-2-6-16(9-15)24-19-10-17(14-7-8-14)18(12-22-19)20(25)23-11-13-3-1-4-13/h2,5-6,9-10,12-14H,1,3-4,7-8,11H2,(H,22,24)(H,23,25)
InChIKeyWCVXETSDXOLDBB-UHFFFAOYSA-N
XLogP4.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-chloroanilino)-4-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide
CID 11339145
6-(3-chloro-4-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide
CID 11164693
N-(cyclopentylmethyl)-4-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 11750036
6-(4-chloro-2-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide
CID 11187954
6-(2-chloro-4-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide
CID 59843539
6-anilino-N-(cyclobutylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69354686
6-(3-chloroanilino)-N-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69355064
N-(cyclopropylmethyl)-6-(3,5-dichloroanilino)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69354655
6-(5-chloro-2-hydroxyanilino)-N-(cyclobutylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69355695
6-anilino-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69355285
1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 38887276
6-(3-chloroanilino)-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570165

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide?
The IUPAC name of 6-(3-chloroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide (CID 11233590) is 6-(3-chloroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-chloroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-chloroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide is O=C(NCC1CCC1)c1cnc(Nc2cccc(Cl)c2)cc1C1CC1.
What is the InChIKey of 6-(3-chloroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide?
The InChIKey is WCVXETSDXOLDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c21-15-5-2-6-16(9-15)24-19-10-17(14-7-8-14)18(12-22-19)20(25)23-11-13-3-1-4-13/h2,5-6,9-10,12-14H,1,3-4,7-8,11H2,(H,22,24)(H,23,25).
What are the key properties of 6-(3-chloroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide?
6-(3-chloroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide has a molecular weight of 355.87 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 11233590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).